SCHEMBL6449983

SCHEMBL6449983

COc1cccc(OC(=O)[C@@]2(C(F)(F)F)CO2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
RAB9A P51151 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6449984 1.00 LMNA (0.42) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL6450082 0.87 MAOB (0.42) LMNASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL6450087 0.87 MAOB (0.42) LMNASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL6445669 0.84 ESR1 (0.41) SMN1; SMN2ALDH1A1CES2CES1ESR1
SCHEMBL6445680 0.84 ESR1 (0.41) SMN1; SMN2ALDH1A1CES2CES1ESR1
SCHEMBL6445784 0.83 KMT2A (0.43) LMNASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL6451511 0.83 TRPA1 (0.41) TP53
SCHEMBL6451505 0.83 TRPA1 (0.41) TP53
SCHEMBL6445781 0.83 KMT2A (0.43) LMNASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL6450053 0.82 L3MBTL1 (0.42) SMN1; SMN2MAPTALDH1A1GAAHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921832-B2 Optically active fluorine-containing compounds and processes for their production TOSOH CORPORATION (JP) 2005-07-26 US disclosed
US-20040147756-A1 Optically active fluorine-containing compounds and processes for their production TOSOH CORPORATION (JP) 2004-07-29 US disclosed
EP-1422226-A1 Optically active fluorine-containing compounds and processes for their production Tosoh Corporation (JP) 2004-05-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040147756-A1 Optically active fluorine-containing compounds and processes for their production CYP2C19, CYP2F1, CYP2B6 LMNA 3125/4885SMN1; SMN2 3381/4885MAPT 3196/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.